1,1-Dimethylethyl 5,6,7,9-tetrahydro-2-(methylthio)-8H-pyrimido[5,4-e][1,4]diazepine-8-carboxylate

CAS Registry Number®

1251000-26-6
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CAS Name

1,1-Dimethylethyl 5,6,7,9-tetrahydro-2-(methylthio)-8H-pyrimido[5,4-e][1,4]diazepine-8-carboxylate

Molecular Formula

C13H20N4O2S

Molecular Mass

296.39

Cite this Page

1,1-Dimethylethyl 5,6,7,9-tetrahydro-2-(methylthio)-8H-pyrimido[5,4-e][1,4]diazepine-8-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1251000-26-6 (retrieved 2024-09-10) (CAS RN: 1251000-26-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H20N4O2S/c1-13(2,3)19-12(18)17-6-5-14-9-7-15-11(20-4)16-10(9)8-17/h7,14H,5-6,8H2,1-4H3

InChIKey

InChIKey=BUZHJCCPKMLOCZ-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)N1CC=2C(=CN=C(SC)N2)NCC1

Canonical SMILES

O=C(OC(C)(C)C)N1CC2=NC(=NC=C2NCC1)SC

Other Names for this Substance

  • 8H-Pyrimido[5,4-e][1,4]diazepine-8-carboxylic acid, 5,6,7,9-tetrahydro-2-(methylthio)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 5,6,7,9-tetrahydro-2-(methylthio)-8H-pyrimido[5,4-e][1,4]diazepine-8-carboxylate